(4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone

C11H16N4O2S — CID 65205088

IUPAC(4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(=NO)CC1
InChIInChI=1S/C11H16N4O2S/c1-2-3-9-10(18-14-12-9)11(16)15-6-4-8(13-17)5-7-15/h17H,2-7H2,1H3
InChIKeyJDEXLUNBWVCUQR-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.56
Rot. Bonds3

About (4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone

(4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 65205088) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is (4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID65205088
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name(4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(=NO)CC1
InChIInChI=1S/C11H16N4O2S/c1-2-3-9-10(18-14-12-9)11(16)15-6-4-8(13-17)5-7-15/h17H,2-7H2,1H3
InChIKeyJDEXLUNBWVCUQR-UHFFFAOYSA-N
XLogP1.56
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 65205038
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059681
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 65206219
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 106837062
(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207236
(4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 71805668
4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile
CID 107160763
(3-aminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65210383
[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 102983632
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
CID 65205177

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone (CID 65205088) is (4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(=NO)CC1.
What is the InChIKey of (4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is JDEXLUNBWVCUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-2-3-9-10(18-14-12-9)11(16)15-6-4-8(13-17)5-7-15/h17H,2-7H2,1H3.
What are the key properties of (4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
(4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 268.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65205088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).